N-butyl-4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]-N-butyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-[5-benzyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-N-butylpiperazine-1-carboxamide Traditional Name: 4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]-N-butyl-piperazine-1-carboxamide Formula: C27H32ClN5O MolecularWeight: 478.02888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H32ClN5O/c1-3-4-14-29-27(34)33-17-15-32(16-18-33)26-24(19-21-8-6-5-7-9-21)20(2)30-25(31-26)22-10-12-23(28)13-11-22/h5-13H,3-4,14-19H2,1-2H3,(H,29,34)